N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C17H24N4 — CID 106615452

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(-n2ccnc2)cc1)CC1CCCN1
InChIInChI=1S/C17H24N4/c1-2-20(13-16-4-3-9-19-16)12-15-5-7-17(8-6-15)21-11-10-18-14-21/h5-8,10-11,14,16,19H,2-4,9,12-13H2,1H3
InChIKeyGRKCWTSYYHLOGO-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.45
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615452) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615452
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(-n2ccnc2)cc1)CC1CCCN1
InChIInChI=1S/C17H24N4/c1-2-20(13-16-4-3-9-19-16)12-15-5-7-17(8-6-15)21-11-10-18-14-21/h5-8,10-11,14,16,19H,2-4,9,12-13H2,1H3
InChIKeyGRKCWTSYYHLOGO-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 78821034
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622609
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[[4-(2-methylpropyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603955

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615452) is N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1ccc(-n2ccnc2)cc1)CC1CCCN1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is GRKCWTSYYHLOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-20(13-16-4-3-9-19-16)12-15-5-7-17(8-6-15)21-11-10-18-14-21/h5-8,10-11,14,16,19H,2-4,9,12-13H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).